2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H13BrN3O2S- MolecularWeight: 367.24092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C14H14BrN3O2S/c1-9(10-4-2-3-5-11(10)15)17-13(20)8-21-14-16-7-6-12(19)18-14/h2-7,9H,8H2,1H3,(H,17,20)(H,16,18,19)/p-1/t9-/m1/s1